methyl 2-methylsulfanyl-4,6-dipyridin-4-yl-benzoate

Systemtic Name: methyl 2-methylsulfanyl-4,6-dipyridin-4-yl-benzoate Openeye Name: methyl 2-methylsulfanyl-4,6-bis(4-pyridyl)benzoate CAS Name: 2-(methylthio)-4,6-dipyridin-4-ylbenzoic acid methyl ester IUPAC Name: methyl 2-methylsulfanyl-4,6-dipyridin-4-ylbenzoate Traditional Name: 2-(methylthio)-4,6-bis(4-pyridyl)benzoic acid methyl ester Formula: C19H16N2O2S MolecularWeight: 336.40754

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1SC)C2=CC=NC=C2)C3=CC=NC=C3

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1SC)C2=CC=NC=C2)C3=CC=NC=C3

InChI

InChI=1S/C19H16N2O2S/c1-23-19(22)18-16(14-5-9-21-10-6-14)11-15(12-17(18)24-2)13-3-7-20-8-4-13/h3-12H,1-2H3